3-amino-N-(4-chlorophenyl)-4-fluorobenzamide

C13H10ClFN2O — CID 39364346

IUPAC3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C13H10ClFN2O/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,16H2,(H,17,18)
InChIKeyDOUGWKQTKDZHIF-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide

3-amino-N-(4-chlorophenyl)-4-fluorobenzamide (PubChem CID 39364346) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
PubChem CID39364346
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C13H10ClFN2O/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,16H2,(H,17,18)
InChIKeyDOUGWKQTKDZHIF-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide (CID 39364346) is 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide?
The InChIKey is DOUGWKQTKDZHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide?
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide has a molecular weight of 264.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 39364346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).